CID 39870695

Ethyl 5-amino-4-cyano-2-(trifluoromethyl)furan-3-carboxylate

Structural Information

Molecular Formula
C9H7F3N2O3
SMILES
CCOC(=O)C1=C(OC(=C1C#N)N)C(F)(F)F
InChI
InChI=1S/C9H7F3N2O3/c1-2-16-8(15)5-4(3-13)7(14)17-6(5)9(10,11)12/h2,14H2,1H3
InChIKey
JVPDMOYDBMWBBX-UHFFFAOYSA-N
Compound name
ethyl 5-amino-4-cyano-2-(trifluoromethyl)furan-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

248.04088 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.04816 145.6
[M+Na]+ 271.03010 156.4
[M-H]- 247.03360 145.8
[M+NH4]+ 266.07470 161.2
[M+K]+ 287.00404 155.6
[M+H-H2O]+ 231.03814 131.4
[M+HCOO]- 293.03908 162.2
[M+CH3COO]- 307.05473 204.8
[M+Na-2H]- 269.01555 147.7
[M]+ 248.04033 139.6
[M]- 248.04143 139.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.